[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [5-(3-chloro-4-methyl-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [5-(3-chloro-4-methylphenyl)-2-furanyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [5-(3-chloro-4-methylphenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [5-(3-chloro-4-methyl-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C18H25ClN2O+2 MolecularWeight: 320.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3)Cl

InChI

InChI=1S/C18H23ClN2O/c1-13-2-3-15(10-17(13)19)18-5-4-16(22-18)12-21-11-14-6-8-20-9-7-14/h2-5,10,14,20-21H,6-9,11-12H2,1H3/p+2